4-[(4-butoxy-3-ethoxy-phenyl)methylidene]-2,5-diphenyl-pyrazol-3-one

Systemtic Name: 4-[(4-butoxy-3-ethoxy-phenyl)methylidene]-2,5-diphenyl-pyrazol-3-one Openeye Name: 4-[(4-butoxy-3-ethoxy-phenyl)methylene]-2,5-diphenyl-pyrazol-3-one CAS Name: 4-[(4-butoxy-3-ethoxyphenyl)methylidene]-2,5-diphenyl-3-pyrazolone IUPAC Name: 4-[(4-butoxy-3-ethoxyphenyl)methylidene]-2,5-diphenylpyrazol-3-one Traditional Name: 4-(4-butoxy-3-ethoxy-benzylidene)-2,5-diphenyl-2-pyrazolin-3-one Formula: C28H28N2O3 MolecularWeight: 440.53352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OCC

InChI

InChI=1S/C28H28N2O3/c1-3-5-18-33-25-17-16-21(20-26(25)32-4-2)19-24-27(22-12-8-6-9-13-22)29-30(28(24)31)23-14-10-7-11-15-23/h6-17,19-20H,3-5,18H2,1-2H3